2024 journal article
A Finite Difference informed Random Walk solver for simulating radiation defect evolution in polycrystalline structures with strongly inhomogeneous diffusivity
COMPUTATIONAL MATERIALS SCIENCE, 246.
2024 journal article
Assessment of uranium nitride interatomic potentials
JOURNAL OF NUCLEAR MATERIALS, 60.
2024 journal article
Calculation of grain boundary diffusion coefficients in γ U-Mo using atomistic simulations
JOURNAL OF NUCLEAR MATERIALS, 598.
2024 journal article
First-principles investigation of lanthanides diffusion in HCP zirconium via vacancy-mediated transport
JOURNAL OF NUCLEAR MATERIALS, 601.
2024 article
First-principles investigation of the thermophysical properties of NaCl, PuCl3, and NaCl-PuCl3 Molten salts
Duemmler, K., Andersson, D., & Beeler, B. (2024, April 1). JOURNAL OF NUCLEAR MATERIALS, Vol. 591.
2024 journal article
KCl-UCl<sub>3</sub> molten salts investigated by <i>Ab Initio</i> Molecular Dynamics (AIMD) simulations: A comparative study with three dispersion models
JOURNAL OF NUCLEAR MATERIALS, 599.
2024 journal article
Magnetism and finite-temperature effects in UZr 2: A density functional theory analysis
JOURNAL OF NUCLEAR MATERIALS, 595.
2024 journal article
Thermophysical properties and unexpected viscosity of liquid (U, Zr): An atomistic investigation
JOURNAL OF CHEMICAL PHYSICS, 160(21).
2024 journal article
Vacancy-mediated transport and segregation tendencies of solutes in fcc nickel under diffusional creep: A density functional theory study
PHYSICAL REVIEW MATERIALS, 8(8).
2023 journal article
An ab initio molecular dynamics study of varied compositions of the LiF-NaF-KF molten salt
JOURNAL OF NUCLEAR MATERIALS, 585.
2023 journal article
An atomistic study of fundamental bulk and defect properties in alpha-uranium
JOURNAL OF NUCLEAR MATERIALS, 576.
2023 journal article
Development of an efficient and improved core thermal-hydraulics predictive capability for fast reactors: Summary of research and development activities at the North Carolina state University
NUCLEAR ENGINEERING AND DESIGN, 412.
2023 journal article
First-principles-derived transport properties of Molten chloride salts
JOURNAL OF NUCLEAR MATERIALS, 585.
2023 journal article
Integrated simulation of U-10Mo monolithic fuel swelling behavior
JOURNAL OF NUCLEAR MATERIALS, 583.
2022 journal article
Ab initio molecular dynamics (AIMD) simulations of NaCl, UCl3 and NaCl-UCl3 molten salts
JOURNAL OF NUCLEAR MATERIALS, 568.
2022 journal article
Ab initio molecular dynamics investigation of gamma-(U,Zr) structural and thermal properties as a function of temperature and composition
JOURNAL OF NUCLEAR MATERIALS, 561.
2022 journal article
An ab initio molecular dynamics investigation of the thermophysical properties of molten NaCl-MgCl2
JOURNAL OF NUCLEAR MATERIALS, 570.
2022 article
Analyzing the effect of pressure on the properties of point defects in ?U-Mo through atomistic simulations (vol 15, pg 874. 2022)
Beeler, B., Zhang, Y., Hasan, A. T. M. J., Park, G., Hu, S., & Mei, Z.-G. (2022, December 5). MRS ADVANCES, Vol. 12.
2022 article
Analyzing the effect of pressure on the properties of point defects in gamma U-Mo through atomistic simulations
Beeler, B., Zhang, Y., Hasan, A. T. M. J., Park, G., Hu, S., & Mei, Z.-G. (2022, October 13). MRS ADVANCES, Vol. 10.
2022 journal article
Computational determination of a primary diffusion mode in gamma U-10Mo under irradiation
JOURNAL OF NUCLEAR MATERIALS, 574.
2022 journal article
Investigation of ?-(U, Zr) structural properties and its interfacial properties with liquid sodium using ab initio molecular dynamics
JOURNAL OF NUCLEAR MATERIALS, 567.
2022 journal article
The impact of anisotropic thermal expansion on the isothermal annealing of polycrystalline alpha-uranium
COMPUTATIONAL MATERIALS SCIENCE, 205.
2021 journal article
<p>Evaluation of thermophysical properties of the LiCl-KCl system via ab initio and experimental methods</p>
JOURNAL OF NUCLEAR MATERIALS, 559.
2021 journal article
An atomistic study of defect energetics and diffusion with respect to composition and temperature in gamma U and gamma U-Mo alloys
JOURNAL OF NUCLEAR MATERIALS, 552.
2021 journal article
Density functional theory calculations of the thermodynamic and kinetic properties of point defects in beta-U
JOURNAL OF NUCLEAR MATERIALS, 557.
2021 journal article
Determination of Thermal Expansion, Defect Formation Energy, and Defect-Induced Strain of alpha-U Via ab Initio Molecular Dynamics
FRONTIERS IN MATERIALS, 8.
2021 journal article
Evaluation of the anisotropic grain boundaries and surfaces of alpha-U via molecular dynamics
JOURNAL OF NUCLEAR MATERIALS, 554.
2021 journal article
Gas Bubble Evolution in Polycrystalline UMo Fuels Under Elastic-Plastic Deformation: A Phase-Field Model With Crystal-Plasticity
FRONTIERS IN MATERIALS, 8.
2021 journal article
Improvement of the BISON U3Si2 modeling capabilities based on multiscale developments to modeling fission gas behavior
JOURNAL OF NUCLEAR MATERIALS, 555.
2021 journal article
Irradiation-enhanced diffusion and diffusion-limited creep in U3Si2
JOURNAL OF NUCLEAR MATERIALS, 555.
2020 journal article
Ab initio molecular dynamics investigation of point defects in gamma-U
JOURNAL OF NUCLEAR MATERIALS, 545.
2020 journal article
Atomistic calculations of the surface energy as a function of composition and temperature in gamma U-Zr to inform fuel performance modeling
JOURNAL OF NUCLEAR MATERIALS, 540.
2020 journal article
Defect cluster and nonequilibrium gas bubble associated growth in irradiated UMo fuels – A cluster dynamics and phase field model
Journal of Nuclear Materials, 542, 152441.
2020 journal article
Development of a grain growth model for U3Si2 using experimental data, phase field simulation and molecular dynamics
Journal of Nuclear Materials, 532, 152069.
2020 journal article
First-principles study of the surface properties of uranium carbides
JOURNAL OF NUCLEAR MATERIALS, 542.
2020 journal article
Phase-field simulations of intergranular fission gas bubble behavior in U3Si2 nuclear fuel
Journal of Nuclear Materials, 541, 152415.
2020 journal article
Radiation driven diffusion in γU-Mo
Journal of Nuclear Materials, 543, 152568.
2019 journal article
A improved equation of state for Xe gas bubbles in gamma U-Mo fuels
JOURNAL OF NUCLEAR MATERIALS, 530.
2019 journal article
Calculation of threshold displacement energies in UO2
JOURNAL OF NUCLEAR MATERIALS, 520, 152–164.
2017 journal article
A modified Embedded-Atom Method interatomic potential for uranium-silicide
Journal of Nuclear Materials, 495, 267–276.
Contributors: , M. Baskes *, D. Andersson *, M. Cooper * & Y. Zhang * *
2017 conference paper
A modified embedded-atom method interatomic potential for U-Si
Transactions of the American Nuclear Society, 116, 407–409. http://www.scopus.com/inward/record.url?eid=2-s2.0-85033481319&partnerID=MN8TOARS
2017 report
Multi-Scale Modeling of Swelling in Accident-Tolerant U3Si2 Fuel
2017 report
Progress update on lower length scale research and development on U3Si2 fuel and FeCrAl cladding
2016 journal article
Effect of strain and temperature on the threshold displacement energy in body-centered cubic iron
Journal of Nuclear Materials, 474, 113–119.
Contributors: , M. Asta *, P. Hosemann * & N. Grønbech-Jensen * *
2015 journal article
Atomistic modeling of high temperature uranium-zirconium alloy structure and thermodynamics
Journal of Nuclear Materials, 467, 802–819.
Contributors: A. Moore *, * , C. Deo *, M. Baskes * & M. Okuniewski *
2015 conference paper
Effect of interfaces on radiation damage accumulation in FeNiAl maraging steels
Transactions of the American Nuclear Society, 112, 328–329. http://www.scopus.com/inward/record.url?eid=2-s2.0-84988891995&partnerID=MN8TOARS
2015 journal article
Effects of applied strain on radiation damage generation in body-centered cubic iron
Journal of Nuclear Materials, 459, 159–165.
2014 journal article
Defect structures induced by high-energy displacement cascades in γ uranium
Journal of Nuclear Materials, 456, 1–6.
2013 conference paper
Atomistic ordering in body centered cubic Uranium-Zirconium alloy
Materials Research Society Symposium Proceedings, 1514, 27–35.
Contributors: A. Moore *, * , M. Baskes *, M. Okuniewski * & C. Deo *
2012 conference paper
Atomistic investigations of intrinsic and extrinsic point defects in bcc uranium
ASTM Special Technical Publication, 1547 STP, 231–247.
Contributors: , C. Deo *, M. Baskes * & M. Okuniewski * *
2012 journal article
Atomistic properties of γ uranium
J. Phys.: Condens. Matter, 24(7), 075401.
2012 conference paper
Calculation of the displacement energy in b.c.c. U at 800 K
Transactions of the American Nuclear Society, 106, 1214–1215. http://www.scopus.com/inward/record.url?eid=2-s2.0-84876400924&partnerID=MN8TOARS
2012 journal article
First principles calculations of the structure and elastic constants of α, β and γ uranium
Journal of Nuclear Materials, 433(1-3), 143–151.
2012 journal article
Multiple hydrogen trapping at monovacancies
Philosophical Magazine Letters, 92(5), 217–225.
2011 journal article
First-principles calculations of the stability and incorporation of helium, xenon and krypton in uranium
Journal of Nuclear Materials, 425(1-3), 2–7.
Contributors: , B. Good *, S. Rashkeev *, C. Deo *, M. Baskes * & M. Okuniewski * *
2010 journal article
First principles calculations for defects in U
Journal of Physics Condensed Matter, 22(50).
Contributors: , B. Good *, S. Rashkeev *, C. Deo *, M. Baskes * & M. Okuniewski * *
Updated: May 5th, 2020 09:39
2019 - present
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Updated: June 23rd, 2015 13:04
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